2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol

C8H15NO — CID 23087026

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol
SMILESOC1NCC2CCCCC21
InChIInChI=1S/C8H15NO/c10-8-7-4-2-1-3-6(7)5-9-8/h6-10H,1-5H2
InChIKeyAENVFIFDTPYLLD-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.71
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol

2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol (PubChem CID 23087026) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol
PubChem CID23087026
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol
SMILESOC1NCC2CCCCC21
InChIInChI=1S/C8H15NO/c10-8-7-4-2-1-3-6(7)5-9-8/h6-10H,1-5H2
InChIKeyAENVFIFDTPYLLD-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol (CID 23087026) is 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol is OC1NCC2CCCCC21.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol?
The InChIKey is AENVFIFDTPYLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-8-7-4-2-1-3-6(7)5-9-8/h6-10H,1-5H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol?
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-ol is sourced from PubChem (CID 23087026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).